Development and implementation of computational code for studying the electronic properties of graphene nanostructure

Abstract

Graphene is two-dimensional material with attractive electronic properties that have been successfully integrated into nanotransistors. However, it still has some issues due to its metallic nature. One way to solve this problem is by nanostructuring it. To better understanding the effect of nanostructuring on graphene, we need to solve the Schrodinger equation: if we use the tight-binding model, the solution of this equation is simply a linear combination of atomic orbital of these nanostructures. If you need the energy spectrum of graphene quantum dots with precise shape and edges, you need to construct a Hamiltonian matrix based on your input data: unit cell, hopping integral, shape and size. In this master thesis, we provide an easy way for writing a code that can generate a Hamiltonian matrix for finite size.